From: Peter Murray-Rust <pm286@ca...> - 2008-06-11 18:41:03
Jim Downing wrote:
> Hi all,
> We're close to a 5.4.2 release. Before that happens, we need to branch
> legacy2cml so we can release that at the same time. It will probably be done
> and dusted by the end of next week.
Many thanks Jim,
To add a bit - we have cleared some material out of JUMBO including MDL
converter software (which has been in legacy2cml for sometime). We shall
freeze a version of legacy2cml which is compatible with Jumbo5.4.2. We
are then refactoring legacy2cml as we now have a major requirement for
processing CML documents and we'll probably use a different name.
Longterm followers of jumbo may remember that JUMBO3 has a number of
tools for conversion, including spectra and crystallography, but the
framework was problematic. We are now concentrating on a clean interface
which is generic for complex and compound CML and legacy documents.
legacy2cml is informed by other Blue Obelisk tools such as CDK and
openbabel so generally the duplication is relatively small. The main
emphasis is on lossless transformation to CML and semantic interconversion.